#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a57 s SER 13 N 0.00 3.04 0.29 1.61 0.01 -1.26 -1.23 113.70 116.16 3a57 s SER 13 Ca 0.00 -1.57 -0.20 0.00 1.31 0.00 0.00 55.95 55.49 3a57 s SER 13 Cb 0.00 0.29 0.02 0.00 0.21 0.00 0.00 66.02 66.54 3a57 s SER 13 CO 0.00 -0.80 0.71 -0.62 0.41 0.00 0.00 173.24 172.95 3a57 s ASP 14 N -3.64 -0.22 -0.01 2.44 -1.08 -0.17 -4.82 116.67 109.18 3a57 s ASP 14 Ca 0.24 -0.69 0.03 0.00 -0.52 0.00 0.00 52.55 51.61 3a57 s ASP 14 Cb 0.05 0.74 -0.01 0.00 -1.46 0.00 0.00 42.92 42.23 3a57 s ASP 14 CO 0.13 -1.38 -0.11 -0.70 0.52 0.00 0.00 175.17 173.63 3a57 s GLU 15 N -3.74 0.89 -0.09 4.34 2.12 -1.26 -1.38 118.70 119.57 3a57 s GLU 15 Ca 0.12 -0.41 -0.01 0.00 0.36 0.00 0.00 54.97 55.04 3a57 s GLU 15 Cb -0.06 -0.86 0.03 0.00 0.26 0.00 0.00 34.13 33.50 3a57 s GLU 15 CO 0.08 0.23 -0.05 0.42 -0.54 0.00 0.00 175.26 175.40 3a57 s ILE 16 N -0.29 0.79 -0.14 -3.70 1.01 -0.27 -1.37 121.20 117.22 3a57 s ILE 16 Ca 0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 60.65 60.53 3a57 s ILE 16 Cb -0.04 -0.85 -0.02 0.00 0.01 0.00 0.00 42.46 41.56 3a57 s ILE 16 CO -0.00 0.32 -0.10 -0.22 0.00 0.00 0.00 174.94 174.94 3a57 s LEU 17 N 1.72 2.86 -0.11 2.97 0.20 -0.02 -1.26 118.68 125.04 3a57 s LEU 17 Ca 0.03 -0.29 0.01 0.00 0.69 0.00 0.00 54.13 54.58 3a57 s LEU 17 Cb -0.13 -1.66 -0.02 0.00 -0.43 0.00 0.00 46.19 43.95 3a57 s LEU 17 CO -0.06 0.15 -0.14 -0.36 -0.29 0.00 0.00 176.35 175.65 3a57 s PHE 18 N 0.46 2.77 -0.06 5.38 0.08 0.48 -0.82 117.98 126.26 3a57 s PHE 18 Ca -0.08 -0.57 0.03 0.00 0.12 0.00 0.00 56.93 56.44 3a57 s PHE 18 Cb -0.15 -1.79 0.01 0.00 -0.57 0.00 0.00 43.02 40.51 3a57 s PHE 18 CO 0.04 -0.14 -0.15 0.08 -0.10 0.00 0.00 175.22 174.95 3a57 s VAL 19 N 0.13 1.32 -0.18 -0.44 1.01 0.09 -0.81 120.40 121.53 3a57 s VAL 19 Ca -0.07 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 61.27 3a57 s VAL 19 Cb -0.15 -1.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.05 3a57 s VAL 19 CO 0.05 0.39 -0.09 0.54 0.00 0.00 0.00 175.10 175.99 3a57 s VAL 20 N 0.37 3.14 -0.22 2.92 0.11 -0.40 -0.26 120.40 126.06 3a57 s VAL 20 Ca -0.10 -0.60 -0.03 0.00 -2.93 0.00 0.00 61.98 58.32 3a57 s VAL 20 Cb -0.14 -2.38 0.00 0.00 -1.53 0.00 0.00 36.38 32.34 3a57 s VAL 20 CO 0.04 0.48 -0.07 -0.13 -3.33 0.00 0.00 175.10 172.08 3a57 s ARG 21 N 1.01 3.20 -0.66 1.54 0.52 0.99 -1.63 118.95 123.92 3a57 s ARG 21 Ca -0.01 -0.73 -0.10 0.00 -0.52 0.00 0.00 55.73 54.37 3a57 s ARG 21 Cb -0.15 -2.93 0.17 0.00 0.52 0.00 0.00 34.95 32.57 3a57 s ARG 21 CO -0.01 -0.24 0.56 0.34 0.02 0.00 0.00 175.30 175.97 3a57 s ASP 22 N 1.42 6.06 0.00 0.23 2.15 0.68 -0.58 116.67 126.62 3a57 s ASP 22 Ca 0.05 -2.46 0.19 0.00 0.43 0.00 0.00 52.55 50.75 3a57 s ASP 22 Cb -0.14 -2.07 0.84 0.00 -0.30 0.00 0.00 42.92 41.24 3a57 s ASP 22 CO -0.05 -0.58 1.59 0.35 -0.17 0.00 0.00 175.17 176.31 3a57 n THR 23 N 4.19 0.64 1.28 1.71 -2.24 0.03 -2.94 114.28 116.96 3a57 n THR 23 Ca 0.04 0.16 0.15 0.00 -2.27 0.00 0.00 64.05 62.13 3a57 n THR 23 Cb 0.42 -0.84 0.70 0.00 -2.10 0.00 0.00 70.33 68.51 3a57 n THR 23 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3a57 n THR 24 N -1.44 0.00 0.28 4.28 -2.24 -1.25 -4.21 114.28 109.70 3a57 n THR 24 Ca 0.06 -0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.98 3a57 n THR 24 Cb 0.20 -0.48 0.80 0.00 -2.10 0.00 0.00 70.33 68.75 3a57 n THR 24 CO 0.00 0.00 0.00 2.19 -0.57 0.00 0.00 175.07 176.69 3a57 h PHE 25 N 0.02 0.00 -0.14 4.78 -5.15 -1.89 -2.21 116.94 112.35 3a57 h PHE 25 Ca 0.00 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.76 3a57 h PHE 25 Cb 0.36 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.53 3a57 h PHE 25 CO 0.00 0.08 -0.01 0.27 -2.00 0.00 0.00 178.31 176.65 3a57 n ASN 26 N -3.52 3.10 -4.98 -0.68 6.94 -1.26 -4.89 115.26 109.97 3a57 n ASN 26 Ca -0.02 -3.10 -0.21 0.00 -0.02 0.00 0.00 54.58 51.24 3a57 n ASN 26 Cb 0.22 -0.50 0.03 0.00 -2.36 0.00 0.00 39.78 37.17 3a57 n ASN 26 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 3a57 s THR 27 N -2.88 2.24 0.33 5.53 -4.23 -0.83 -5.02 115.64 110.78 3a57 s THR 27 Ca 0.38 -1.15 0.20 0.00 -1.18 0.00 0.00 61.69 59.93 3a57 s THR 27 Cb 0.32 -2.39 0.18 0.00 1.34 0.00 0.00 72.50 71.95 3a57 s THR 27 CO 0.06 0.00 1.90 0.78 -0.54 0.00 0.00 174.62 176.81 3a57 h ASN 28 N 0.48 0.00 -2.14 3.99 2.35 -1.96 -3.35 115.58 114.96 3a57 h ASN 28 Ca -0.34 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 54.82 3a57 h ASN 28 Cb 1.29 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 39.25 3a57 h ASN 28 CO 0.47 0.27 -0.77 0.00 -1.65 0.00 0.00 177.43 175.75 3a57 n ALA 29 N -2.36 3.59 -1.74 -0.83 0.00 -1.26 -5.10 120.51 112.81 3a57 n ALA 29 Ca -0.01 -4.32 -0.36 0.00 0.00 0.00 0.00 53.44 48.74 3a57 n ALA 29 Cb 0.37 -0.86 0.04 0.00 0.00 0.00 0.00 19.45 19.00 3a57 n ALA 29 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3a57 s PRO 30 N -2.23 2.87 0.34 0.00 0.02 -1.25 -4.98 135.00 129.77 3a57 s PRO 30 Ca 0.40 1.86 0.07 0.00 0.02 0.00 0.00 61.00 63.35 3a57 s PRO 30 Cb 0.18 -1.91 -0.01 0.00 0.02 0.00 0.00 34.50 32.78 3a57 s PRO 30 CO -0.05 -1.29 0.45 0.14 -0.33 0.00 0.00 177.00 175.91 3a57 s VAL 31 N -1.57 3.99 -0.50 3.83 -7.23 -1.26 -5.05 120.40 112.61 3a57 s VAL 31 Ca 0.78 -1.04 -0.19 0.00 -1.81 0.00 0.00 61.98 59.72 3a57 s VAL 31 Cb -0.32 -3.37 0.06 0.00 0.56 0.00 0.00 36.38 33.31 3a57 s VAL 31 CO 0.35 -0.16 0.60 0.20 -0.31 0.00 0.00 175.10 175.78 3a57 s ASN 32 N -4.15 6.22 -0.14 4.85 0.01 -1.26 -4.92 114.94 115.54 3a57 s ASN 32 Ca 0.45 -0.94 0.01 0.00 -0.71 0.00 0.00 52.86 51.66 3a57 s ASN 32 Cb -0.09 -2.28 -0.01 0.00 0.41 0.00 0.00 41.25 39.28 3a57 s ASN 32 CO 0.31 -0.86 -0.16 -0.69 -1.51 0.00 0.00 177.10 174.19 3a57 s VAL 33 N 2.52 2.74 0.01 1.60 1.01 -1.26 -0.66 120.40 126.36 3a57 s VAL 33 Ca 0.14 -0.76 -0.07 0.00 0.00 0.00 0.00 61.98 61.29 3a57 s VAL 33 Cb -0.20 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.05 3a57 s VAL 33 CO 0.12 0.52 0.14 -1.83 0.00 0.00 0.00 175.10 174.05 3a57 s GLU 34 N 0.55 0.50 -0.39 2.72 -1.05 -0.40 -3.09 118.70 117.54 3a57 s GLU 34 Ca -0.10 -0.44 -0.28 0.00 -0.15 0.00 0.00 54.97 54.01 3a57 s GLU 34 Cb -0.16 0.21 0.02 0.00 -0.44 0.00 0.00 34.13 33.76 3a57 s GLU 34 CO 0.04 -0.12 1.04 0.08 0.95 0.00 0.00 175.26 177.25 3a57 s VAL 35 N -1.52 4.43 -0.80 1.83 1.01 0.38 0.12 120.40 125.85 3a57 s VAL 35 Ca -0.14 1.35 0.23 0.00 0.00 0.00 0.00 61.98 63.42 3a57 s VAL 35 Cb -0.07 -4.46 -0.11 0.00 0.00 0.00 0.00 36.38 31.74 3a57 s VAL 35 CO 0.01 -0.69 1.09 -1.54 0.00 0.00 0.00 175.10 173.97 3a57 n SER 36 N 7.18 0.66 -3.53 3.32 3.41 0.18 -4.80 113.62 120.04 3a57 n SER 36 Ca 0.10 -0.40 -0.10 0.00 -0.26 0.00 0.00 58.87 58.22 3a57 n SER 36 Cb 0.48 0.71 -0.03 0.00 -0.26 0.00 0.00 64.21 65.11 3a57 n SER 36 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3a57 s ASP 37 N -3.48 -0.39 -0.07 4.04 2.15 -1.13 -4.98 116.67 112.81 3a57 s ASP 37 Ca 0.06 0.20 -0.30 0.00 0.43 0.00 0.00 52.55 52.94 3a57 s ASP 37 Cb 0.16 0.37 0.09 0.00 -0.30 0.00 0.00 42.92 43.23 3a57 s ASP 37 CO 0.79 -0.52 0.77 0.72 -0.17 0.00 0.00 175.17 176.76 3a57 s PHE 38 N -2.27 -0.56 -0.11 -5.34 -0.12 -1.26 -0.52 117.98 107.80 3a57 s PHE 38 Ca 0.01 0.92 -0.30 0.00 -0.05 0.00 0.00 56.93 57.51 3a57 s PHE 38 Cb -0.01 0.43 0.10 0.00 -0.63 0.00 0.00 43.02 42.92 3a57 s PHE 38 CO -0.04 -0.54 0.87 -0.46 -0.05 0.00 0.00 175.22 175.00 3a57 s TRP 39 N -1.34 -0.48 0.06 3.49 -0.00 -0.74 -5.00 118.94 114.92 3a57 s TRP 39 Ca -0.07 0.82 -0.03 0.00 -0.00 0.00 0.00 56.10 56.82 3a57 s TRP 39 Cb -0.00 0.44 -0.03 0.00 -0.00 0.00 0.00 33.47 33.88 3a57 s TRP 39 CO 0.06 -0.45 0.04 -0.08 -0.00 0.00 0.00 176.95 176.51 3a57 s THR 40 N -1.18 0.18 -2.32 5.86 -1.32 -1.26 -1.19 115.64 114.41 3a57 s THR 40 Ca -0.05 -1.52 0.27 0.00 -1.21 0.00 0.00 61.69 59.18 3a57 s THR 40 Cb -0.00 -1.32 0.40 0.00 -1.51 0.00 0.00 72.50 70.06 3a57 s THR 40 CO 0.05 -0.84 1.60 -0.46 -2.21 0.00 0.00 174.62 172.76 3a57 n ASN 41 N 0.25 1.57 0.00 8.08 6.94 -0.76 -4.88 115.26 126.45 3a57 n ASN 41 Ca -0.15 -1.39 0.00 0.00 -0.02 0.00 0.00 54.58 53.02 3a57 n ASN 41 Cb 0.61 0.06 0.00 0.00 -2.36 0.00 0.00 39.78 38.09 3a57 n ASN 41 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3a57 n ARG 42 N 0.07 0.00 -4.01 -3.83 5.12 -1.26 -5.00 116.66 107.75 3a57 n ARG 42 Ca 0.16 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.73 3a57 n ARG 42 Cb 0.39 0.00 -0.09 0.00 -1.16 0.00 0.00 32.46 31.60 3a57 n ARG 42 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 3a57 s ASN 43 N 1.00 5.70 -0.24 0.55 0.01 -0.24 -4.96 114.94 116.75 3a57 s ASN 43 Ca 0.00 0.13 -0.21 0.00 -0.71 0.00 0.00 52.86 52.07 3a57 s ASN 43 Cb 0.00 -1.94 -0.02 0.00 0.41 0.00 0.00 41.25 39.70 3a57 s ASN 43 CO 0.00 0.21 0.67 -0.69 -1.51 0.00 0.00 177.10 175.78 3a57 s VAL 44 N 0.14 4.96 -0.16 1.60 1.01 -1.26 -1.35 120.40 125.34 3a57 s VAL 44 Ca 0.05 1.23 0.18 0.00 0.00 0.00 0.00 61.98 63.43 3a57 s VAL 44 Cb -0.12 -3.97 -0.25 0.00 0.00 0.00 0.00 36.38 32.04 3a57 s VAL 44 CO 0.00 0.02 0.24 0.29 0.00 0.00 0.00 175.10 175.65 3a57 n LYS 45 N 5.66 0.67 -3.69 2.72 5.02 0.20 -4.96 118.16 123.80 3a57 n LYS 45 Ca 0.01 0.03 -0.10 0.00 -2.02 0.00 0.00 58.31 56.22 3a57 n LYS 45 Cb 0.49 -1.58 -0.10 0.00 -0.02 0.00 0.00 35.03 33.82 3a57 n LYS 45 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3a57 s ARG 46 N -2.63 0.47 -0.07 1.97 3.52 -1.14 -4.92 118.95 116.14 3a57 s ARG 46 Ca -0.09 0.85 -0.08 0.00 -0.13 0.00 0.00 55.73 56.29 3a57 s ARG 46 Cb 0.07 0.04 -0.04 0.00 -1.56 0.00 0.00 34.95 33.46 3a57 s ARG 46 CO 0.84 -0.14 0.21 0.15 -0.81 0.00 0.00 175.30 175.54 3a57 s LYS 47 N 1.30 3.54 0.20 5.12 1.02 -1.26 -1.41 119.74 128.25 3a57 s LYS 47 Ca -0.08 -0.04 -0.29 0.00 0.02 0.00 0.00 55.97 55.58 3a57 s LYS 47 Cb -0.07 -3.17 -0.08 0.00 -0.52 0.00 0.00 37.83 33.98 3a57 s LYS 47 CO -0.12 0.74 0.91 -1.25 -0.92 0.00 0.00 175.35 174.70 3a57 s PRO 48 N -1.19 4.77 0.08 -1.68 0.04 -1.02 -4.77 135.00 131.24 3a57 s PRO 48 Ca 0.19 1.41 -0.31 0.00 0.04 0.00 0.00 61.00 62.33 3a57 s PRO 48 Cb -0.13 -3.29 -0.07 0.00 0.04 0.00 0.00 34.50 31.05 3a57 s PRO 48 CO 0.08 0.48 1.36 -0.47 0.04 0.00 0.00 177.00 178.50 3a57 s TYR 49 N -0.99 3.19 0.10 0.56 5.04 -1.26 -4.92 117.35 119.07 3a57 s TYR 49 Ca 0.41 0.98 -0.17 0.00 -2.44 0.00 0.00 57.07 55.84 3a57 s TYR 49 Cb -0.25 -3.64 -0.06 0.00 0.35 0.00 0.00 41.96 38.37 3a57 s TYR 49 CO 0.30 -2.22 1.56 -0.22 -1.34 0.00 0.00 175.55 173.63 3a57 h LYS 50 N 7.01 0.51 -3.88 4.97 3.64 -1.94 -3.33 116.57 123.55 3a57 h LYS 50 Ca -0.41 -0.15 -0.77 0.00 -1.27 0.00 0.00 60.65 58.06 3a57 h LYS 50 Cb 1.20 -0.05 -0.20 0.00 -0.41 0.00 0.00 32.23 32.77 3a57 h LYS 50 CO 0.86 0.62 1.34 -0.25 -2.27 0.00 0.00 179.45 179.76 3a57 n ASP 51 N -4.61 5.42 -4.67 4.20 8.00 -1.26 -0.47 116.55 123.16 3a57 n ASP 51 Ca -0.02 -3.10 -0.54 0.00 0.71 0.00 0.00 54.79 51.83 3a57 n ASP 51 Cb 0.23 -1.46 -0.06 0.00 -0.02 0.00 0.00 41.12 39.80 3a57 n ASP 51 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3a57 n VAL 52 N 3.38 0.21 -3.97 2.53 0.31 -1.18 -4.94 118.33 114.67 3a57 n VAL 52 Ca 0.34 -0.04 -0.31 0.00 -0.01 0.00 0.00 64.34 64.32 3a57 n VAL 52 Cb 0.39 -1.15 -0.14 0.00 -0.91 0.00 0.00 33.84 32.02 3a57 n VAL 52 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 3a57 s TYR 53 N 2.42 3.49 0.00 3.52 5.04 -1.26 -4.84 117.35 125.72 3a57 s TYR 53 Ca 0.92 -3.06 0.00 0.00 -2.44 0.00 0.00 57.07 52.49 3a57 s TYR 53 Cb -0.98 -2.90 0.00 0.00 0.35 0.00 0.00 41.96 38.43 3a57 s TYR 53 CO 0.57 -0.85 0.00 0.41 -1.34 0.00 0.00 175.55 174.34 3a57 n GLY 54 N 3.72 1.42 3.50 8.97 0.00 -1.26 -4.82 105.19 116.72 3a57 n GLY 54 Ca 0.04 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 3a57 n GLY 54 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3a57 s GLN 55 N 0.00 0.67 0.12 1.61 0.74 -1.26 -0.23 119.66 121.31 3a57 s GLN 55 Ca 0.00 0.88 0.06 0.00 0.05 0.00 0.00 55.36 56.35 3a57 s GLN 55 Cb 0.00 0.28 -0.04 0.00 1.10 0.00 0.00 33.01 34.36 3a57 s GLN 55 CO 0.00 -0.10 -0.15 -1.12 -0.55 0.00 0.00 175.29 173.37 3a57 s SER 56 N 0.57 2.06 -0.03 6.67 0.01 -0.65 -4.92 113.70 117.41 3a57 s SER 56 Ca -0.02 -0.79 0.00 0.00 1.31 0.00 0.00 55.95 56.45 3a57 s SER 56 Cb -0.05 -0.08 0.03 0.00 0.21 0.00 0.00 66.02 66.13 3a57 s SER 56 CO -0.03 -0.12 -0.00 -0.69 0.41 0.00 0.00 173.24 172.81 3a57 s VAL 57 N -2.02 0.18 -0.13 3.43 1.01 -1.26 -1.27 120.40 120.34 3a57 s VAL 57 Ca 0.08 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.15 3a57 s VAL 57 Cb -0.06 -0.26 0.02 0.00 0.00 0.00 0.00 36.38 36.08 3a57 s VAL 57 CO 0.03 0.14 -0.17 0.12 0.00 0.00 0.00 175.10 175.22 3a57 s PHE 58 N 0.95 2.21 -0.11 5.22 5.36 0.01 -2.42 117.98 129.20 3a57 s PHE 58 Ca -0.10 -1.12 0.02 0.00 -0.96 0.00 0.00 56.93 54.78 3a57 s PHE 58 Cb -0.13 -1.57 -0.01 0.00 -0.34 0.00 0.00 43.02 40.97 3a57 s PHE 58 CO -0.02 -0.57 -0.20 0.99 -1.46 0.00 0.00 175.22 173.97 3a57 s THR 59 N 1.08 2.46 0.12 0.12 2.01 -0.50 -0.39 115.64 120.53 3a57 s THR 59 Ca -0.03 -0.88 0.06 0.00 0.31 0.00 0.00 61.69 61.15 3a57 s THR 59 Cb -0.14 -1.98 -0.04 0.00 0.01 0.00 0.00 72.50 70.35 3a57 s THR 59 CO -0.04 0.55 -0.15 0.42 -0.69 0.00 0.00 174.62 174.71 3a57 s THR 60 N 0.34 1.34 0.08 -0.82 -4.23 -0.39 -0.63 115.64 111.33 3a57 s THR 60 Ca -0.16 -1.66 -0.26 0.00 -1.18 0.00 0.00 61.69 58.44 3a57 s THR 60 Cb -0.17 -1.48 0.08 0.00 1.34 0.00 0.00 72.50 72.27 3a57 s THR 60 CO 0.08 -0.37 0.70 -0.94 -0.54 0.00 0.00 174.62 173.55 3a57 s SER 61 N -2.33 -0.52 0.00 3.99 1.04 -0.46 -1.11 113.70 114.31 3a57 s SER 61 Ca 0.08 0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.62 3a57 s SER 61 Cb -0.06 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.59 3a57 s SER 61 CO 0.03 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.05 3a57 n GLY 62 N -0.13 -0.57 3.77 7.32 0.00 -0.48 -1.08 105.19 114.01 3a57 n GLY 62 Ca -0.15 -1.52 -0.39 0.00 0.00 0.00 0.00 46.02 43.96 3a57 n GLY 62 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a57 s THR 63 N -2.41 2.95 0.44 2.61 -4.23 -1.26 -0.99 115.64 112.75 3a57 s THR 63 Ca 0.00 0.83 -0.25 0.00 -1.18 0.00 0.00 61.69 61.09 3a57 s THR 63 Cb 0.00 -3.48 -0.08 0.00 1.34 0.00 0.00 72.50 70.28 3a57 s THR 63 CO 0.00 0.10 1.33 -0.54 -0.54 0.00 0.00 174.62 174.97 3a57 s LYS 64 N -2.22 3.77 -0.01 3.99 1.02 -0.37 -3.35 119.74 122.58 3a57 s LYS 64 Ca 0.56 2.20 -0.29 0.00 0.02 0.00 0.00 55.97 58.46 3a57 s LYS 64 Cb -0.34 -2.64 -0.03 0.00 -0.52 0.00 0.00 37.83 34.30 3a57 s LYS 64 CO 0.43 -0.67 0.95 -1.58 -0.92 0.00 0.00 175.35 173.56 3a57 s TRP 65 N -1.28 3.65 -0.17 3.18 0.52 -1.26 -4.98 118.94 118.61 3a57 s TRP 65 Ca 0.60 1.66 -0.02 0.00 0.02 0.00 0.00 56.10 58.36 3a57 s TRP 65 Cb -0.39 -3.09 -0.01 0.00 -1.15 0.00 0.00 33.47 28.82 3a57 s TRP 65 CO 0.49 -0.00 -0.08 -1.17 0.02 0.00 0.00 176.95 176.21 3a57 s LEU 66 N 1.00 2.89 -0.15 2.99 2.96 -0.37 -4.95 118.68 123.04 3a57 s LEU 66 Ca 0.51 -0.32 0.01 0.00 -0.22 0.00 0.00 54.13 54.11 3a57 s LEU 66 Cb -0.21 -1.69 0.02 0.00 0.50 0.00 0.00 46.19 44.81 3a57 s LEU 66 CO 0.27 0.09 -0.17 0.42 -1.32 0.00 0.00 176.35 175.64 3a57 s THR 67 N 0.80 1.80 0.03 3.68 -4.23 -1.26 -0.30 115.64 116.15 3a57 s THR 67 Ca -0.03 -0.79 -0.07 0.00 -1.18 0.00 0.00 61.69 59.62 3a57 s THR 67 Cb -0.15 -1.64 -0.00 0.00 1.34 0.00 0.00 72.50 72.05 3a57 s THR 67 CO 0.01 0.50 0.13 -0.44 -0.54 0.00 0.00 174.62 174.28 3a57 s SER 68 N 1.23 0.10 0.17 3.99 0.01 -0.25 -1.84 113.70 117.12 3a57 s SER 68 Ca 0.01 -0.40 -0.20 0.00 1.31 0.00 0.00 55.95 56.66 3a57 s SER 68 Cb -0.14 0.23 0.05 0.00 0.21 0.00 0.00 66.02 66.38 3a57 s SER 68 CO -0.08 -0.48 0.55 -0.72 0.41 0.00 0.00 173.24 172.92 3a57 s TYR 69 N -2.24 -0.35 -0.00 2.43 -0.85 -0.34 -0.99 117.35 115.01 3a57 s TYR 69 Ca -0.08 0.07 0.02 0.00 -0.52 0.00 0.00 57.07 56.56 3a57 s TYR 69 Cb -0.03 0.48 -0.00 0.00 0.38 0.00 0.00 41.96 42.78 3a57 s TYR 69 CO -0.03 -0.87 -0.06 1.41 -1.52 0.00 0.00 175.55 174.49 3a57 s MET 70 N -3.80 0.45 -0.10 -3.49 1.75 -0.42 -1.79 119.30 111.91 3a57 s MET 70 Ca 0.04 -0.21 0.04 0.00 -1.25 0.00 0.00 55.69 54.31 3a57 s MET 70 Cb -0.01 -0.44 -0.01 0.00 2.84 0.00 0.00 34.83 37.22 3a57 s MET 70 CO -0.09 0.12 -0.22 0.99 -0.65 0.00 0.00 175.02 175.17 3a57 s THR 71 N -0.14 2.28 -0.12 10.11 2.01 0.32 -1.32 115.64 128.77 3a57 s THR 71 Ca 0.02 -0.95 0.02 0.00 0.31 0.00 0.00 61.69 61.09 3a57 s THR 71 Cb -0.02 -1.88 -0.00 0.00 0.01 0.00 0.00 72.50 70.60 3a57 s THR 71 CO -0.00 0.56 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.60 3a57 s VAL 72 N 0.20 2.40 -0.24 3.82 1.01 0.52 -0.65 120.40 127.46 3a57 s VAL 72 Ca -0.13 -0.89 -0.15 0.00 0.00 0.00 0.00 61.98 60.80 3a57 s VAL 72 Cb -0.16 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 3a57 s VAL 72 CO 0.07 0.54 0.38 0.21 0.00 0.00 0.00 175.10 176.30 3a57 s ASN 73 N 0.45 6.33 -0.21 3.32 3.84 0.12 -0.49 114.94 128.29 3a57 s ASN 73 Ca -0.14 0.38 0.01 0.00 0.21 0.00 0.00 52.86 53.33 3a57 s ASN 73 Cb -0.17 -2.22 0.04 0.00 -0.55 0.00 0.00 41.25 38.36 3a57 s ASN 73 CO 0.06 -0.13 -0.12 -0.63 -2.79 0.00 0.00 177.10 173.48 3a57 s ILE 74 N 1.73 1.86 -1.57 -5.21 1.01 0.46 -1.27 121.20 118.21 3a57 s ILE 74 Ca 0.16 -1.18 -0.06 0.00 0.00 0.00 0.00 60.65 59.57 3a57 s ILE 74 Cb -0.15 -1.90 0.06 0.00 0.01 0.00 0.00 42.46 40.48 3a57 s ILE 74 CO 0.09 0.17 0.38 0.59 0.00 0.00 0.00 174.94 176.16 3a57 n ASN 75 N 4.60 -0.66 -0.00 3.58 4.13 0.16 -1.58 115.26 125.49 3a57 n ASN 75 Ca -0.16 -1.12 -0.00 0.00 1.68 0.00 0.00 54.58 54.98 3a57 n ASN 75 Cb 0.46 -2.36 -0.00 0.00 -1.54 0.00 0.00 39.78 36.34 3a57 n ASN 75 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 3a57 n ASP 76 N -2.83 -3.13 -4.37 6.41 8.00 -1.26 -5.02 116.55 114.34 3a57 n ASP 76 Ca -0.19 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 54.99 3a57 n ASP 76 Cb 0.63 -0.64 -0.15 0.00 -0.02 0.00 0.00 41.12 40.94 3a57 n ASP 76 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3a57 s LYS 77 N -0.23 2.68 -0.16 -1.24 1.02 -0.62 -5.11 119.74 116.09 3a57 s LYS 77 Ca 0.00 -0.79 -0.14 0.00 0.02 0.00 0.00 55.97 55.07 3a57 s LYS 77 Cb 0.00 -2.33 -0.05 0.00 -0.52 0.00 0.00 37.83 34.93 3a57 s LYS 77 CO 0.00 0.45 0.28 -0.51 -0.92 0.00 0.00 175.35 174.65 3a57 s ASP 78 N -0.29 6.43 -0.12 2.83 1.01 -1.26 -0.40 116.67 124.87 3a57 s ASP 78 Ca 0.01 0.50 0.02 0.00 0.71 0.00 0.00 52.55 53.79 3a57 s ASP 78 Cb -0.13 -2.18 0.01 0.00 1.01 0.00 0.00 42.92 41.64 3a57 s ASP 78 CO 0.03 0.11 -0.17 -0.31 0.21 0.00 0.00 175.17 175.04 3a57 s TYR 79 N 0.42 2.18 -0.08 4.23 2.02 0.36 -2.62 117.35 123.85 3a57 s TYR 79 Ca 0.16 -1.07 -0.00 0.00 -0.37 0.00 0.00 57.07 55.79 3a57 s TYR 79 Cb -0.13 -1.54 -0.03 0.00 -0.40 0.00 0.00 41.96 39.86 3a57 s TYR 79 CO 0.04 -0.53 -0.06 0.99 -1.57 0.00 0.00 175.55 174.41 3a57 s THR 80 N 1.00 3.79 -0.18 -0.71 2.01 -0.06 -0.35 115.64 121.14 3a57 s THR 80 Ca -0.05 -0.44 -0.05 0.00 0.31 0.00 0.00 61.69 61.46 3a57 s THR 80 Cb -0.15 -2.57 -0.03 0.00 0.01 0.00 0.00 72.50 69.76 3a57 s THR 80 CO -0.03 0.58 0.00 -0.04 -0.69 0.00 0.00 174.62 174.45 3a57 s MET 81 N -0.62 3.70 0.04 4.92 -1.94 -0.44 -1.51 119.30 123.46 3a57 s MET 81 Ca 0.09 -0.49 0.01 0.00 -1.71 0.00 0.00 55.69 53.60 3a57 s MET 81 Cb -0.12 -3.06 -0.03 0.00 2.01 0.00 0.00 34.83 33.64 3a57 s MET 81 CO 0.02 0.13 -0.06 0.00 -0.01 0.00 0.00 175.02 175.10 3a57 s ALA 82 N 0.70 0.45 -0.03 3.03 0.00 -0.25 -1.30 121.76 124.36 3a57 s ALA 82 Ca 0.00 -0.79 -0.11 0.00 0.00 0.00 0.00 51.96 51.06 3a57 s ALA 82 Cb -0.14 0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.10 3a57 s ALA 82 CO 0.02 -0.11 0.25 0.00 0.00 0.00 0.00 175.76 175.92 3a57 s ALA 83 N -1.79 -0.62 -0.07 0.00 0.00 -0.16 -1.29 121.76 117.82 3a57 s ALA 83 Ca -0.09 0.29 -0.00 0.00 0.00 0.00 0.00 51.96 52.16 3a57 s ALA 83 Cb -0.07 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.03 3a57 s ALA 83 CO -0.01 -0.21 -0.04 0.08 0.00 0.00 0.00 175.76 175.58 3a57 s VAL 84 N -0.99 0.62 -0.26 0.00 1.01 0.17 -1.09 120.40 119.86 3a57 s VAL 84 Ca -0.11 -0.08 -0.08 0.00 0.00 0.00 0.00 61.98 61.71 3a57 s VAL 84 Cb -0.05 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 3a57 s VAL 84 CO 0.03 0.28 0.11 -0.55 0.00 0.00 0.00 175.10 174.96 3a57 s SER 85 N 1.57 5.38 0.00 3.32 0.15 0.59 -0.52 113.70 124.19 3a57 s SER 85 Ca -0.00 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.47 3a57 s SER 85 Cb -0.13 -1.98 0.00 0.00 -1.71 0.00 0.00 66.02 62.20 3a57 s SER 85 CO -0.04 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 174.96 3a57 n GLY 86 N 4.96 3.75 2.99 9.45 0.00 0.32 -1.24 105.19 125.41 3a57 n GLY 86 Ca -0.15 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.58 3a57 n GLY 86 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a57 s TYR 87 N 0.94 0.28 -0.10 1.61 2.02 -1.26 -1.43 117.35 119.43 3a57 s TYR 87 Ca 0.00 -0.54 -0.02 0.00 -0.37 0.00 0.00 57.07 56.15 3a57 s TYR 87 Cb 0.00 -0.20 0.03 0.00 -0.40 0.00 0.00 41.96 41.39 3a57 s TYR 87 CO 0.00 -0.19 -0.00 0.21 -1.57 0.00 0.00 175.55 174.00 3a57 s LYS 88 N -1.51 0.73 -1.55 -0.62 2.47 0.22 -4.80 119.74 114.68 3a57 s LYS 88 Ca -0.15 -0.04 -0.14 0.00 -1.56 0.00 0.00 55.97 54.08 3a57 s LYS 88 Cb -0.10 -1.27 0.10 0.00 -1.46 0.00 0.00 37.83 35.10 3a57 s LYS 88 CO -0.01 -0.37 0.91 0.72 0.16 0.00 0.00 175.35 176.76 3a57 n HIS 89 N 5.10 -2.16 -0.90 4.03 8.25 -1.26 -1.84 115.22 126.44 3a57 n HIS 89 Ca -0.08 0.84 0.00 0.00 -0.26 0.00 0.00 57.72 58.22 3a57 n HIS 89 Cb 0.49 -3.72 0.00 0.00 1.12 0.00 0.00 29.99 27.89 3a57 n HIS 89 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a57 n GLY 90 N -1.59 0.74 3.30 -1.41 0.00 -1.26 -5.04 105.19 99.92 3a57 n GLY 90 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 3a57 n GLY 90 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3a57 s HIS 91 N -2.84 1.67 0.24 1.61 3.76 -0.77 -5.06 115.29 113.90 3a57 s HIS 91 Ca 0.00 -0.51 -0.31 0.00 -0.15 0.00 0.00 55.06 54.09 3a57 s HIS 91 Cb 0.00 -0.84 -0.13 0.00 1.11 0.00 0.00 32.58 32.72 3a57 s HIS 91 CO 0.00 0.27 1.40 0.45 -0.85 0.00 0.00 174.74 176.01 3a57 n SER 92 N 0.28 2.74 -3.65 1.40 2.88 -1.26 -0.61 113.62 115.40 3a57 n SER 92 Ca -0.13 1.15 -0.15 0.00 -1.33 0.00 0.00 58.87 58.40 3a57 n SER 92 Cb 0.57 -1.43 -0.08 0.00 -0.75 0.00 0.00 64.21 62.53 3a57 n SER 92 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3a57 s ALA 93 N -0.12 -1.24 -0.02 -1.46 0.00 -0.51 -4.74 121.76 113.66 3a57 s ALA 93 Ca 0.67 0.84 0.07 0.00 0.00 0.00 0.00 51.96 53.54 3a57 s ALA 93 Cb -0.65 -0.03 -0.02 0.00 0.00 0.00 0.00 23.12 22.43 3a57 s ALA 93 CO 0.50 -0.31 -0.23 0.08 0.00 0.00 0.00 175.76 175.81 3a57 s VAL 94 N -1.15 1.83 -0.00 0.00 1.01 -1.26 -0.52 120.40 120.31 3a57 s VAL 94 Ca -0.11 -0.98 0.06 0.00 0.00 0.00 0.00 61.98 60.94 3a57 s VAL 94 Cb -0.03 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 3a57 s VAL 94 CO 0.06 0.52 -0.19 -0.36 0.00 0.00 0.00 175.10 175.14 3a57 s PHE 95 N -0.46 1.65 0.06 5.22 0.08 0.33 -4.64 117.98 120.21 3a57 s PHE 95 Ca 0.07 -0.32 0.01 0.00 0.12 0.00 0.00 56.93 56.81 3a57 s PHE 95 Cb -0.10 -1.04 -0.03 0.00 -0.57 0.00 0.00 43.02 41.28 3a57 s PHE 95 CO -0.00 -0.00 -0.06 0.14 -0.10 0.00 0.00 175.22 175.20 3a57 s VAL 96 N -0.52 0.50 -0.22 -0.44 -7.23 -1.26 -0.65 120.40 110.58 3a57 s VAL 96 Ca 0.07 -1.53 -0.22 0.00 -1.81 0.00 0.00 61.98 58.49 3a57 s VAL 96 Cb -0.07 -1.16 0.06 0.00 0.56 0.00 0.00 36.38 35.77 3a57 s VAL 96 CO -0.00 -0.70 0.62 -0.75 -0.31 0.00 0.00 175.10 173.96 3a57 s LYS 97 N -2.88 0.74 0.03 4.82 2.20 -0.41 -4.84 119.74 119.40 3a57 s LYS 97 Ca 0.01 0.82 0.06 0.00 -0.36 0.00 0.00 55.97 56.49 3a57 s LYS 97 Cb -0.01 0.36 -0.02 0.00 -1.51 0.00 0.00 37.83 36.65 3a57 s LYS 97 CO -0.04 -0.10 -0.17 -1.12 -0.36 0.00 0.00 175.35 173.57 3a57 s SER 98 N 0.22 1.96 0.14 1.43 0.01 -1.26 -1.09 113.70 115.12 3a57 s SER 98 Ca -0.01 -0.45 -0.25 0.00 1.31 0.00 0.00 55.95 56.54 3a57 s SER 98 Cb -0.04 -0.15 0.07 0.00 0.21 0.00 0.00 66.02 66.10 3a57 s SER 98 CO 0.01 0.10 0.95 -0.62 0.41 0.00 0.00 173.24 174.09 3a57 s ASP 99 N -1.04 -0.20 -1.12 2.44 2.15 -0.57 -5.00 116.67 113.33 3a57 s ASP 99 Ca 0.04 -0.36 -0.20 0.00 0.43 0.00 0.00 52.55 52.46 3a57 s ASP 99 Cb -0.08 0.48 0.07 0.00 -0.30 0.00 0.00 42.92 43.09 3a57 s ASP 99 CO 0.01 -0.87 1.52 -1.58 -0.17 0.00 0.00 175.17 174.08 3a57 s GLN 100 N -3.27 3.76 0.20 4.34 0.74 -1.26 -0.88 119.66 123.29 3a57 s GLN 100 Ca 0.11 -1.58 -0.15 0.00 0.05 0.00 0.00 55.36 53.79 3a57 s GLN 100 Cb -0.01 -5.36 0.02 0.00 1.10 0.00 0.00 33.01 28.75 3a57 s GLN 100 CO 0.01 -2.16 0.48 0.14 -0.55 0.00 0.00 175.29 173.21 3a57 s VAL 101 N 4.28 0.03 0.16 1.34 -7.23 -1.08 -4.97 120.40 112.94 3a57 s VAL 101 Ca 0.47 -0.98 0.08 0.00 -1.81 0.00 0.00 61.98 59.74 3a57 s VAL 101 Cb 0.01 -1.72 -0.04 0.00 0.56 0.00 0.00 36.38 35.19 3a57 s VAL 101 CO -0.03 -0.14 -0.05 -1.10 -0.31 0.00 0.00 175.10 173.47 3a57 s GLN 102 N -3.91 2.24 0.44 4.82 -0.21 -1.26 -3.54 119.66 118.24 3a57 s GLN 102 Ca 0.12 -1.13 0.03 0.00 0.02 0.00 0.00 55.36 54.41 3a57 s GLN 102 Cb -0.00 -2.29 -0.03 0.00 1.00 0.00 0.00 33.01 31.69 3a57 s GLN 102 CO -0.01 0.46 0.07 -0.51 -2.12 0.00 0.00 175.29 173.19 3a57 s LEU 103 N -2.71 2.19 0.28 2.90 1.43 -1.26 -5.11 118.68 116.40 3a57 s LEU 103 Ca 0.25 -1.61 0.09 0.00 -1.03 0.00 0.00 54.13 51.83 3a57 s LEU 103 Cb -0.10 -0.42 -0.05 0.00 0.03 0.00 0.00 46.19 45.65 3a57 s LEU 103 CO 0.16 -0.83 -0.13 -1.10 0.23 0.00 0.00 176.35 174.68 3a57 s GLN 104 N -3.79 1.62 -1.18 1.70 -0.21 -1.26 -5.05 119.66 111.49 3a57 s GLN 104 Ca 0.19 -1.78 -0.14 0.00 0.02 0.00 0.00 55.36 53.65 3a57 s GLN 104 Cb 0.03 -1.49 -0.06 0.00 1.00 0.00 0.00 33.01 32.49 3a57 s GLN 104 CO 0.11 0.19 2.24 0.72 -2.12 0.00 0.00 175.29 176.42 3a57 n HIS 105 N -0.61 2.45 -3.69 0.91 8.25 -1.26 -4.58 115.22 116.69 3a57 n HIS 105 Ca -0.06 -2.45 -0.14 0.00 -0.26 0.00 0.00 57.72 54.81 3a57 n HIS 105 Cb 0.62 -2.12 -0.08 0.00 1.12 0.00 0.00 29.99 29.52 3a57 n HIS 105 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3a57 s SER 106 N 3.63 -0.37 0.17 0.41 1.04 -1.26 -5.04 113.70 112.27 3a57 s SER 106 Ca 0.53 0.43 -0.15 0.00 0.48 0.00 0.00 55.95 57.24 3a57 s SER 106 Cb 0.14 0.51 0.12 0.00 0.10 0.00 0.00 66.02 66.90 3a57 s SER 106 CO -0.01 -0.42 1.71 0.22 0.98 0.00 0.00 173.24 175.72 3a57 h TYR 107 N 4.01 0.06 -0.23 5.02 3.20 -1.96 -2.67 116.97 124.40 3a57 h TYR 107 Ca -0.28 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.52 3a57 h TYR 107 Cb 1.17 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.46 3a57 h TYR 107 CO 0.46 -0.03 -0.24 0.22 -1.64 0.00 0.00 178.16 176.93 3a57 h ASP 108 N 0.16 0.44 -0.30 -2.11 3.58 -1.96 0.86 116.42 117.09 3a57 h ASP 108 Ca 0.20 -0.14 0.05 0.00 0.42 0.00 0.00 57.03 57.56 3a57 h ASP 108 Cb 0.27 -0.12 -0.05 0.00 1.72 0.00 0.00 39.33 41.15 3a57 h ASP 108 CO -0.30 0.68 0.01 -1.28 -2.88 0.00 0.00 179.24 175.48 3a57 h SER 109 N 0.39 -0.09 0.02 2.28 0.87 -1.77 0.20 113.55 115.44 3a57 h SER 109 Ca 0.06 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.68 3a57 h SER 109 Cb 0.64 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 3a57 h SER 109 CO 0.05 -0.01 -0.01 0.58 -0.53 0.00 0.00 176.83 176.90 3a57 h VAL 110 N 0.10 1.42 -0.49 2.23 2.07 -1.17 -2.81 116.25 117.61 3a57 h VAL 110 Ca 0.15 -1.37 -0.07 0.00 0.82 0.00 0.00 66.70 66.23 3a57 h VAL 110 Cb 0.19 2.33 -0.02 0.00 -1.52 0.00 0.00 31.29 32.26 3a57 h VAL 110 CO -0.23 0.35 0.02 0.00 0.02 0.00 0.00 177.57 177.73 3a57 h ALA 111 N 0.34 1.12 -0.10 1.67 0.00 -0.78 -0.78 119.26 120.74 3a57 h ALA 111 Ca -0.00 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 3a57 h ALA 111 Cb 0.59 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3a57 h ALA 111 CO 0.00 0.56 -0.54 0.77 0.00 0.00 0.00 179.25 180.05 3a57 h SER 112 N 0.75 0.32 -0.20 0.00 0.02 -1.03 -1.47 113.55 111.95 3a57 h SER 112 Ca 0.15 -0.17 -0.05 0.00 -0.84 0.00 0.00 61.79 60.88 3a57 h SER 112 Cb 0.42 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 3a57 h SER 112 CO 0.02 0.80 -0.07 0.15 -1.14 0.00 0.00 176.83 176.59 3a57 h PHE 113 N 0.23 0.45 -0.23 3.45 3.57 -1.19 -3.31 116.94 119.90 3a57 h PHE 113 Ca 0.00 -0.10 -0.18 0.00 3.53 0.00 0.00 57.97 61.22 3a57 h PHE 113 Cb 1.03 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.66 3a57 h PHE 113 CO 0.02 0.67 -0.57 0.28 -2.23 0.00 0.00 178.31 176.48 3a57 h VAL 114 N 0.10 1.29 -0.42 1.41 2.07 -1.02 -3.48 116.25 116.19 3a57 h VAL 114 Ca 0.05 -1.77 0.00 0.00 0.82 0.00 0.00 66.70 65.80 3a57 h VAL 114 Cb 0.54 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 3a57 h VAL 114 CO 0.02 0.57 0.00 0.61 0.02 0.00 0.00 177.57 178.79 3a57 n GLY 115 N 0.48 -0.04 2.64 2.17 0.00 -0.56 -4.57 105.19 105.30 3a57 n GLY 115 Ca -0.06 -1.00 -0.11 0.00 0.00 0.00 0.00 46.02 44.86 3a57 n GLY 115 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3a57 n GLU 116 N 0.00 1.31 -2.87 1.61 1.02 -1.26 -4.84 120.64 115.60 3a57 n GLU 116 Ca 0.00 -3.35 -0.43 0.00 -0.02 0.00 0.00 57.16 53.36 3a57 n GLU 116 Cb 0.00 -1.33 -0.04 0.00 -0.02 0.00 0.00 31.44 30.05 3a57 n GLU 116 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3a57 s ASP 117 N -3.14 6.26 0.57 1.62 -1.08 -1.26 -4.90 116.67 114.75 3a57 s ASP 117 Ca 0.29 -0.65 0.32 0.00 -0.52 0.00 0.00 52.55 51.99 3a57 s ASP 117 Cb 0.45 -2.42 1.76 0.00 -1.46 0.00 0.00 42.92 41.25 3a57 s ASP 117 CO 0.02 -1.29 2.18 -0.08 0.52 0.00 0.00 175.17 176.53 3a57 h GLU 118 N 9.39 0.00 -0.00 4.34 4.81 -1.96 -1.93 114.58 129.23 3a57 h GLU 118 Ca -0.27 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 3a57 h GLU 118 Cb 1.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.45 3a57 h GLU 118 CO 1.12 0.05 -0.00 -0.25 -0.73 0.00 0.00 179.01 179.19 3a57 n ASP 119 N -3.54 0.14 0.17 1.04 8.00 -1.26 -3.92 116.55 117.17 3a57 n ASP 119 Ca -0.02 -0.96 0.13 0.00 0.71 0.00 0.00 54.79 54.65 3a57 n ASP 119 Cb 0.16 -0.03 0.46 0.00 -0.02 0.00 0.00 41.12 41.70 3a57 n ASP 119 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 3a57 h SER 120 N 0.21 0.00 -3.49 -2.24 4.64 -1.66 -3.43 113.55 107.58 3a57 h SER 120 Ca 0.00 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.99 3a57 h SER 120 Cb 0.07 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 61.82 3a57 h SER 120 CO 0.00 0.00 -0.74 -0.51 -0.87 0.00 0.00 176.83 174.71 3a57 s ILE 121 N -3.32 0.08 0.47 0.95 2.07 -1.25 -3.83 121.20 116.38 3a57 s ILE 121 Ca 0.06 0.15 -0.21 0.00 -1.41 0.00 0.00 60.65 59.24 3a57 s ILE 121 Cb 0.09 -0.20 -0.09 0.00 0.13 0.00 0.00 42.46 42.39 3a57 s ILE 121 CO 0.52 0.13 1.03 -2.16 -1.91 0.00 0.00 174.94 172.55 3a57 s PRO 122 N 1.11 3.87 0.10 3.50 0.04 -1.26 -5.02 135.00 137.33 3a57 s PRO 122 Ca -0.09 1.36 -0.26 0.00 0.04 0.00 0.00 61.00 62.06 3a57 s PRO 122 Cb -0.13 -2.15 0.08 0.00 0.04 0.00 0.00 34.50 32.34 3a57 s PRO 122 CO -0.02 -0.38 0.84 -1.54 0.04 0.00 0.00 177.00 175.94 3a57 s SER 123 N -1.95 -0.34 -0.11 6.66 1.04 -0.43 -4.99 113.70 113.57 3a57 s SER 123 Ca 0.66 -0.17 0.01 0.00 0.48 0.00 0.00 55.95 56.93 3a57 s SER 123 Cb -0.16 0.48 0.02 0.00 0.10 0.00 0.00 66.02 66.46 3a57 s SER 123 CO 0.20 -0.83 -0.13 -0.75 0.98 0.00 0.00 173.24 172.71 3a57 s LYS 124 N -3.36 2.02 -0.17 4.02 2.20 -1.26 -0.93 119.74 122.26 3a57 s LYS 124 Ca 0.07 -0.48 0.00 0.00 -0.36 0.00 0.00 55.97 55.20 3a57 s LYS 124 Cb -0.02 -1.81 0.01 0.00 -1.51 0.00 0.00 37.83 34.50 3a57 s LYS 124 CO -0.05 -0.13 -0.16 1.41 -0.36 0.00 0.00 175.35 176.06 3a57 s MET 125 N 1.20 3.13 -0.15 4.03 -2.45 0.71 -4.98 119.30 120.80 3a57 s MET 125 Ca -0.03 -0.77 -0.20 0.00 -1.25 0.00 0.00 55.69 53.44 3a57 s MET 125 Cb -0.14 -2.64 -0.03 0.00 1.25 0.00 0.00 34.83 33.27 3a57 s MET 125 CO -0.04 -0.10 0.57 0.71 1.05 0.00 0.00 175.02 177.21 3a57 s TYR 126 N 1.09 3.45 -0.24 4.11 2.02 -1.26 -0.32 117.35 126.20 3a57 s TYR 126 Ca -0.00 0.94 0.05 0.00 -0.37 0.00 0.00 57.07 57.70 3a57 s TYR 126 Cb -0.14 -2.70 -0.19 0.00 -0.40 0.00 0.00 41.96 38.53 3a57 s TYR 126 CO -0.05 -0.01 -0.16 1.28 -1.57 0.00 0.00 175.55 175.04 3a57 n LEU 127 N 4.34 2.34 -3.45 -1.29 4.77 -0.16 -4.99 117.00 118.56 3a57 n LEU 127 Ca -0.04 -0.11 -0.11 0.00 -0.03 0.00 0.00 56.01 55.72 3a57 n LEU 127 Cb 0.51 -0.60 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 3a57 n LEU 127 CO 0.44 0.84 0.49 -0.62 -1.33 0.00 0.00 177.39 177.21 3a57 s ASP 128 N -6.27 -0.51 -0.06 -1.43 -1.08 -1.04 -4.89 116.67 101.38 3a57 s ASP 128 Ca -0.29 0.04 -0.02 0.00 -0.52 0.00 0.00 52.55 51.75 3a57 s ASP 128 Cb 0.08 0.53 0.04 0.00 -1.46 0.00 0.00 42.92 42.11 3a57 s ASP 128 CO 0.64 -0.85 0.12 -0.70 0.52 0.00 0.00 175.17 174.90 3a57 s GLU 129 N -3.42 0.02 0.32 4.34 2.12 -1.26 -1.39 118.70 119.43 3a57 s GLU 129 Ca 0.02 0.40 0.04 0.00 0.36 0.00 0.00 54.97 55.79 3a57 s GLU 129 Cb -0.01 -0.27 -0.03 0.00 0.26 0.00 0.00 34.13 34.07 3a57 s GLU 129 CO -0.11 -0.24 0.18 0.95 -0.54 0.00 0.00 175.26 175.51 3a57 s THR 130 N 1.67 0.25 -0.25 -1.70 -4.23 0.89 -5.01 115.64 107.26 3a57 s THR 130 Ca -0.03 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 58.76 3a57 s THR 130 Cb -0.12 -2.49 0.30 0.00 1.34 0.00 0.00 72.50 71.54 3a57 s THR 130 CO -0.05 0.00 1.82 -0.65 -0.54 0.00 0.00 174.62 175.20 3a57 h PRO 131 N 2.17 0.00 0.00 3.99 0.11 -2.02 -3.12 132.00 133.13 3a57 h PRO 131 Ca -0.32 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.67 3a57 h PRO 131 Cb 1.25 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 3a57 h PRO 131 CO 0.49 0.00 -1.89 0.39 -0.21 0.00 0.00 178.00 176.77 3a57 n GLU 132 N -2.56 0.91 -3.47 1.05 1.02 -1.26 -4.89 120.64 111.44 3a57 n GLU 132 Ca 0.01 -0.09 -0.12 0.00 -0.02 0.00 0.00 57.16 56.94 3a57 n GLU 132 Cb 0.25 -1.40 -0.03 0.00 -0.02 0.00 0.00 31.44 30.25 3a57 n GLU 132 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 3a57 s TYR 133 N -2.83 -0.49 0.15 -0.32 -0.85 -1.18 -4.65 117.35 107.18 3a57 s TYR 133 Ca -0.07 0.32 0.09 0.00 -0.52 0.00 0.00 57.07 56.89 3a57 s TYR 133 Cb 0.08 0.49 -0.04 0.00 0.38 0.00 0.00 41.96 42.87 3a57 s TYR 133 CO 0.67 -0.80 -0.13 -0.06 -1.52 0.00 0.00 175.55 173.71 3a57 s PHE 134 N -3.53 2.59 -0.11 -3.49 0.08 0.57 -0.07 117.98 114.02 3a57 s PHE 134 Ca 0.00 -0.24 -0.07 0.00 0.12 0.00 0.00 56.93 56.74 3a57 s PHE 134 Cb -0.00 -1.31 0.04 0.00 -0.57 0.00 0.00 43.02 41.17 3a57 s PHE 134 CO -0.11 0.46 0.27 0.54 -0.10 0.00 0.00 175.22 176.28 3a57 s VAL 135 N -1.48 -0.02 0.20 -0.44 0.11 -0.48 -1.24 120.40 117.05 3a57 s VAL 135 Ca 0.22 0.07 0.02 0.00 -2.93 0.00 0.00 61.98 59.36 3a57 s VAL 135 Cb -0.10 -0.39 -0.05 0.00 -1.53 0.00 0.00 36.38 34.32 3a57 s VAL 135 CO 0.13 0.03 0.02 0.54 -3.33 0.00 0.00 175.10 172.49 3a57 s ASN 136 N 0.71 1.32 -0.05 3.54 2.20 -0.75 -0.99 114.94 120.92 3a57 s ASN 136 Ca -0.05 -1.22 0.02 0.00 -0.94 0.00 0.00 52.86 50.68 3a57 s ASN 136 Cb -0.06 0.11 0.01 0.00 -2.00 0.00 0.00 41.25 39.31 3a57 s ASN 136 CO -0.04 -0.59 -0.10 -0.69 -2.94 0.00 0.00 177.10 172.74 3a57 s VAL 137 N -3.63 0.91 -0.16 3.54 1.01 0.57 -0.94 120.40 121.69 3a57 s VAL 137 Ca 0.27 -0.38 -0.04 0.00 0.00 0.00 0.00 61.98 61.84 3a57 s VAL 137 Cb 0.06 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.57 3a57 s VAL 137 CO 0.06 0.30 -0.03 -0.70 0.00 0.00 0.00 175.10 174.73 3a57 s GLU 138 N 0.54 3.65 -0.09 2.72 2.12 -0.19 -0.20 118.70 127.25 3a57 s GLU 138 Ca -0.10 -0.52 0.01 0.00 0.36 0.00 0.00 54.97 54.72 3a57 s GLU 138 Cb -0.13 -2.94 -0.02 0.00 0.26 0.00 0.00 34.13 31.30 3a57 s GLU 138 CO 0.02 0.20 -0.13 0.00 -0.54 0.00 0.00 175.26 174.81 3a57 s ALA 139 N 0.48 2.66 0.21 6.30 0.00 -0.11 -0.66 121.76 130.64 3a57 s ALA 139 Ca -0.03 -0.92 -0.20 0.00 0.00 0.00 0.00 51.96 50.80 3a57 s ALA 139 Cb -0.14 -1.12 0.04 0.00 0.00 0.00 0.00 23.12 21.90 3a57 s ALA 139 CO 0.03 0.39 0.60 1.52 0.00 0.00 0.00 175.76 178.30 3a57 s TYR 140 N -0.15 -0.27 -0.11 0.00 -0.85 -0.06 -1.32 117.35 114.59 3a57 s TYR 140 Ca -0.01 -0.06 -0.08 0.00 -0.52 0.00 0.00 57.07 56.41 3a57 s TYR 140 Cb -0.13 0.53 -0.04 0.00 0.38 0.00 0.00 41.96 42.69 3a57 s TYR 140 CO 0.03 -0.98 0.17 -1.21 -1.52 0.00 0.00 175.55 172.04 3a57 s GLU 141 N -3.85 3.49 -0.09 -3.49 2.02 -1.26 -0.68 118.70 114.84 3a57 s GLU 141 Ca 0.07 -0.07 -0.04 0.00 0.02 0.00 0.00 54.97 54.95 3a57 s GLU 141 Cb -0.02 -3.19 0.05 0.00 0.10 0.00 0.00 34.13 31.06 3a57 s GLU 141 CO -0.04 0.77 0.20 0.45 0.02 0.00 0.00 175.26 176.67 3a57 s SER 142 N -1.05 0.07 1.40 -0.19 0.15 -0.47 -4.96 113.70 108.65 3a57 s SER 142 Ca 0.16 0.44 0.00 0.00 0.70 0.00 0.00 55.95 57.25 3a57 s SER 142 Cb -0.13 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 3a57 s SER 142 CO 0.05 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.91 3a57 n GLY 143 N 4.62 3.48 1.09 9.45 0.00 -1.26 -0.70 105.19 121.86 3a57 n GLY 143 Ca -0.19 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.00 3a57 n GLY 143 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3a57 n SER 144 N 5.09 3.34 -4.90 1.61 7.64 -1.26 -4.99 113.62 120.16 3a57 n SER 144 Ca 0.00 -1.97 -0.25 0.00 1.01 0.00 0.00 58.87 57.66 3a57 n SER 144 Cb 0.00 -0.21 -0.01 0.00 -1.01 0.00 0.00 64.21 62.98 3a57 n SER 144 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3a57 s GLY 145 N -1.49 2.31 0.01 0.23 0.00 0.12 -4.61 107.32 103.89 3a57 s GLY 145 Ca 0.36 -1.42 0.08 0.00 0.00 0.00 0.00 44.72 43.74 3a57 s GLY 145 CO 0.30 -1.90 -0.25 -1.31 0.00 0.00 0.00 173.10 169.94 3a57 s ASN 146 N -4.27 3.19 -0.05 1.64 0.01 -0.47 -1.37 114.94 113.61 3a57 s ASN 146 Ca 0.37 -0.50 0.03 0.00 -0.71 0.00 0.00 52.86 52.05 3a57 s ASN 146 Cb -0.02 -0.36 0.01 0.00 0.41 0.00 0.00 41.25 41.28 3a57 s ASN 146 CO 0.23 0.30 -0.13 -0.63 -1.51 0.00 0.00 177.10 175.36 3a57 s ILE 147 N -0.71 1.13 -0.13 0.60 1.01 0.15 -0.84 121.20 122.41 3a57 s ILE 147 Ca 0.11 -0.51 0.02 0.00 0.00 0.00 0.00 60.65 60.28 3a57 s ILE 147 Cb -0.10 -1.02 0.01 0.00 0.01 0.00 0.00 42.46 41.36 3a57 s ILE 147 CO 0.01 0.35 -0.21 -0.76 0.00 0.00 0.00 174.94 174.32 3a57 s LEU 148 N 0.43 2.06 -0.18 2.97 1.02 -0.00 -0.89 118.68 124.09 3a57 s LEU 148 Ca -0.10 -0.58 0.01 0.00 0.02 0.00 0.00 54.13 53.48 3a57 s LEU 148 Cb -0.13 -1.40 0.03 0.00 0.02 0.00 0.00 46.19 44.72 3a57 s LEU 148 CO 0.03 0.08 -0.12 -0.69 0.02 0.00 0.00 176.35 175.66 3a57 s VAL 149 N 0.81 1.64 -0.19 -1.59 1.01 0.17 -0.73 120.40 121.51 3a57 s VAL 149 Ca -0.08 -0.88 -0.17 0.00 0.00 0.00 0.00 61.98 60.85 3a57 s VAL 149 Cb -0.16 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 3a57 s VAL 149 CO -0.01 0.28 0.46 -0.32 0.00 0.00 0.00 175.10 175.51 3a57 s MET 150 N 1.42 4.20 -0.16 2.72 1.75 0.65 -1.03 119.30 128.85 3a57 s MET 150 Ca 0.01 0.33 0.01 0.00 -1.25 0.00 0.00 55.69 54.79 3a57 s MET 150 Cb -0.15 -3.54 0.01 0.00 2.84 0.00 0.00 34.83 33.99 3a57 s MET 150 CO -0.09 -0.08 -0.19 0.00 -0.65 0.00 0.00 175.02 174.01 3a57 s ILE 152 N 1.02 4.07 0.22 0.00 1.01 0.25 -1.80 121.20 125.97 3a57 s ILE 152 Ca -0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 60.65 60.32 3a57 s ILE 152 Cb -0.15 -2.79 -0.03 0.00 0.01 0.00 0.00 42.46 39.50 3a57 s ILE 152 CO -0.06 0.50 0.20 -0.94 0.00 0.00 0.00 174.94 174.64 3a57 s SER 153 N 0.27 0.28 0.19 3.58 1.04 -0.37 -0.79 113.70 117.90 3a57 s SER 153 Ca -0.02 -1.37 0.03 0.00 0.48 0.00 0.00 55.95 55.07 3a57 s SER 153 Cb -0.14 0.43 -0.01 0.00 0.10 0.00 0.00 66.02 66.40 3a57 s SER 153 CO 0.02 -0.91 0.10 -0.46 0.98 0.00 0.00 173.24 172.97 3a57 n ASN 154 N -0.43 0.54 -0.19 7.02 0.23 -1.26 -0.31 115.26 120.86 3a57 n ASN 154 Ca 0.02 -2.08 0.09 0.00 -0.53 0.00 0.00 54.58 52.08 3a57 n ASN 154 Cb 0.65 0.63 0.39 0.00 -2.08 0.00 0.00 39.78 39.37 3a57 n ASN 154 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 3a57 h LYS 155 N 0.00 0.65 -0.52 -3.83 1.57 -1.90 0.29 116.57 112.83 3a57 h LYS 155 Ca -0.14 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.51 3a57 h LYS 155 Cb 0.60 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 3a57 h LYS 155 CO 0.22 0.43 -0.04 1.49 -0.57 0.00 0.00 179.45 180.98 3a57 h GLU 156 N 0.67 0.95 -0.52 3.15 4.81 -1.98 -3.26 114.58 118.39 3a57 h GLU 156 Ca 0.35 -0.32 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3a57 h GLU 156 Cb 0.47 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.77 3a57 h GLU 156 CO -0.13 0.98 0.00 -1.13 -0.73 0.00 0.00 179.01 178.00 3a57 n SER 157 N -4.25 3.47 -0.20 1.04 3.41 -0.93 -4.79 113.62 111.37 3a57 n SER 157 Ca 0.01 -1.97 -0.01 0.00 -0.26 0.00 0.00 58.87 56.64 3a57 n SER 157 Cb 0.35 -0.34 0.05 0.00 -0.26 0.00 0.00 64.21 64.01 3a57 n SER 157 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3a57 h PHE 158 N 3.59 -0.34 0.00 7.33 3.57 -0.99 0.10 116.94 130.20 3a57 h PHE 158 Ca 0.00 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.55 3a57 h PHE 158 Cb 0.89 0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.87 3a57 h PHE 158 CO 0.34 -0.26 0.00 0.74 -2.23 0.00 0.00 178.31 176.90 3a57 h PHE 159 N -0.01 0.00 0.00 0.41 0.04 -1.86 -2.78 116.94 112.74 3a57 h PHE 159 Ca 0.29 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.04 3a57 h PHE 159 Cb 0.44 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.59 3a57 h PHE 159 CO -0.50 0.00 -0.07 0.93 -0.60 0.00 0.00 178.31 178.07 3a57 h GLU 160 N 0.00 0.00 -0.26 1.51 5.08 -1.34 0.18 114.58 119.75 3a57 h GLU 160 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3a57 h GLU 160 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3a57 h GLU 160 CO 0.00 0.07 0.00 0.00 -1.00 0.00 0.00 179.01 178.08 3a57 n LYS 162 N 0.26 0.68 -2.02 0.00 4.76 0.05 -4.96 118.16 116.93 3a57 n LYS 162 Ca 0.09 -0.15 -0.41 0.00 -2.87 0.00 0.00 58.31 54.97 3a57 n LYS 162 Cb 0.22 -1.48 -0.02 0.00 -1.84 0.00 0.00 35.03 31.91 3a57 n LYS 162 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 3a57 s HIS 163 N -3.22 2.98 -0.17 2.13 2.46 -1.19 -5.03 115.29 113.26 3a57 s HIS 163 Ca -0.08 1.16 -0.03 0.00 0.47 0.00 0.00 55.06 56.58 3a57 s HIS 163 Cb 0.11 -3.80 -0.02 0.00 -0.13 0.00 0.00 32.58 28.75 3a57 s HIS 163 CO 0.83 -2.46 -0.06 -0.65 -2.47 0.00 0.00 174.74 169.93 3a57 s GLN 164 N -0.97 3.51 0.00 2.88 -0.21 -1.26 -5.08 119.66 118.53 3a57 s GLN 164 Ca 0.56 -0.59 0.01 0.00 0.02 0.00 0.00 55.36 55.35 3a57 s GLN 164 Cb -0.42 -2.87 0.01 0.00 1.00 0.00 0.00 33.01 30.73 3a57 s GLN 164 CO 0.48 0.10 0.52 0.00 -2.12 0.00 0.00 175.29 174.27